(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

C23H19N3O5 — CID 6182233

IUPAC(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19N3O5/c27-22(15-12-17-10-13-19(14-11-17)26(29)30)24-25-23(28)16-31-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-15H,16H2,(H,24,27)(H,25,28)/b15-12+
InChIKeyPARCPCFDSWKKNE-NTCAYCPXSA-N
MW417.42 g/mol
LogP3.50
Rot. Bonds7

About (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 6182233) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID6182233
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19N3O5/c27-22(15-12-17-10-13-19(14-11-17)26(29)30)24-25-23(28)16-31-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-15H,16H2,(H,24,27)(H,25,28)/b15-12+
InChIKeyPARCPCFDSWKKNE-NTCAYCPXSA-N
XLogP3.50
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 26840564
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 17195593
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187002
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
CID 7943372
(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
CID 26840468
(E)-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187333
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 7921184

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (CID 6182233) is (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is PARCPCFDSWKKNE-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H19N3O5/c27-22(15-12-17-10-13-19(14-11-17)26(29)30)24-25-23(28)16-31-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-15H,16H2,(H,24,27)(H,25,28)/b15-12+.
What are the key properties of (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 417.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 6182233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).